SCHEMBL13724968

SCHEMBL13724968

CCOC(=O)[C@H](c1ccccc1)N1CCN[C@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 3/20 0.50
SLC6A4 P31645 2/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CACNA1A O00555 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNB1 Q02641 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13724540 1.00 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL4095319 0.84 LMNA (0.54) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL4099373 0.84 LMNA (0.54) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL14035403 0.84 LMNA (0.54) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL13789612 0.83 CHRM2 (0.53) SLC6A2SLC6A3SLC6A4ALDH1A1CHRM2
SCHEMBL26891505 0.82 ALDH1A1 (0.50) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL13724549 0.80 ALDH1A1 (0.54) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL13724839 0.80 ALDH1A1 (0.54) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL4094064 0.80 OPRD1 (0.44) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4099362 0.80 OPRD1 (0.44) ALDH1A1KDM4EMEN1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT SLC6A2 4212/4885SLC6A3 4118/4885SLC6A4 3834/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.